4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-ylmethyl}-1-methyl-3-phenyl-1H-pyrazole

• ChemBase ID: 744771
• Molecular Formular: C17H19N5
• Molecular Mass: 293.36626
• Monoisotopic Mass: 293.16404563
• SMILES: c1(c(nn(c1)C)c1ccccc1)CN1Cc2c([nH]cn2)CC1
• Canonical SMILES: Cn1cc(c(n1)c1ccccc1)CN1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C17H19N5/c1-21-9-14(17(20-21)13-5-3-2-4-6-13)10-22-8-7-15-16(11-22)19-12-18-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,18,19)
• InChIKey: FLYDCJVHTKOJBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-ylmethyl}-1-methyl-3-phenyl-1H-pyrazole
• IUPAC Traditional name: 4-{1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-ylmethyl}-1-methyl-3-phenylpyrazole
• Synonyms: 5-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.0442705
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.005642299
• LogD (pH = 7.4): 1.5508989
• Log P: 1.7942414
• Molar Refractivity: 98.611 cm^3
• Polarizability: 34.36339 Å^3
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.98
• LOG S: -1.17
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 3